Vitas-M small molecule compound
3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-nitrophenyl)propanamide
Catalog ID
STK136360
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CCN1C(=O)c2c(S1(=O)=O)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H13N3O6S MW 375.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O6S/c20-15(17-11-4-3-5-12(10-11)19(22)23)8-9-18-16(21)13-6-1-2-7-14(13)26(18,24)25/h1-7,10H,8-9H2,(H,17,20)InChIKey
BUBGKKRZTMBHNQ-UHFFFAOYSA-NSynonyms
663167-93-93(11DIOXIDO3OXO12BENZOTHIAZOL2(3H)YL)N(3NITROPHENYL)PROPANAMIDE
3(11DIOXIDO3OXOBENZO(D)ISOTHIAZOL2(3H)YL)N(3NITROPHENYL)PROPANAMIDE
663167939
C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC16H13N3O6Sc2015(171143512(1011)19(22)23)891816(21)13612714(13)26(1824)25h1710H89H2(H1720)
MFCD03998721
N(3NITROPHENYL)3(113TRIOXO12BENZOTHIAZOL2YL)PROPANAMIDE
O=C(Nc1cccc(c1)(N+)(=O)(O))CCN1C(=O)c2c(S1(=O)=O)cccc2
ZINC000001148436
ZINC01148436
ZINC1148436
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